N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide

C15H14F5N9O2 — CID 156756520

IUPACN-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide
SMILESCn1cnc(COCc2nc(C(F)(F)C(F)(F)F)ccc2C(=O)Nc2nnnn2C)n1
InChIInChI=1S/C15H14F5N9O2/c1-28-7-21-11(25-28)6-31-5-9-8(12(30)23-13-24-26-27-29(13)2)3-4-10(22-9)14(16,17)15(18,19)20/h3-4,7H,5-6H2,1-2H3,(H,23,24,27,30)
InChIKeyWRLUIQJNDJZLFT-UHFFFAOYSA-N
MW447.33 g/mol
LogP1.36
Rot. Bonds7

About N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide

N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide (PubChem CID 156756520) has the molecular formula C15H14F5N9O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide
PubChem CID156756520
Molecular FormulaC15H14F5N9O2
Molecular Weight447.33 g/mol
Exact Mass447.12
IUPAC NameN-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide
SMILESCn1cnc(COCc2nc(C(F)(F)C(F)(F)F)ccc2C(=O)Nc2nnnn2C)n1
InChIInChI=1S/C15H14F5N9O2/c1-28-7-21-11(25-28)6-31-5-9-8(12(30)23-13-24-26-27-29(13)2)3-4-10(22-9)14(16,17)15(18,19)20/h3-4,7H,5-6H2,1-2H3,(H,23,24,27,30)
InChIKeyWRLUIQJNDJZLFT-UHFFFAOYSA-N
XLogP1.36
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175812325
N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175812372
N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 166086540
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155191375
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368096
2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134353877
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168841016
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704

Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide (CID 156756520) is N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide is Cn1cnc(COCc2nc(C(F)(F)C(F)(F)F)ccc2C(=O)Nc2nnnn2C)n1.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide?
The InChIKey is WRLUIQJNDJZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N9O2/c1-28-7-21-11(25-28)6-31-5-9-8(12(30)23-13-24-26-27-29(13)2)3-4-10(22-9)14(16,17)15(18,19)20/h3-4,7H,5-6H2,1-2H3,(H,23,24,27,30).
What are the key properties of N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide?
N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide has a molecular weight of 447.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 156756520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).